2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene

C13H18O2 — CID 71175002

IUPAC2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene
SMILESCCOC(C)C1CCc2ccccc2O1
InChIInChI=1S/C13H18O2/c1-3-14-10(2)12-9-8-11-6-4-5-7-13(11)15-12/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyITSSXSFEMQPMGL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.81
Rot. Bonds3

About 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene

2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene (PubChem CID 71175002) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene
PubChem CID71175002
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene
SMILESCCOC(C)C1CCc2ccccc2O1
InChIInChI=1S/C13H18O2/c1-3-14-10(2)12-9-8-11-6-4-5-7-13(11)15-12/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyITSSXSFEMQPMGL-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene (CID 71175002) is 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene is CCOC(C)C1CCc2ccccc2O1.
What is the InChIKey of 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene?
The InChIKey is ITSSXSFEMQPMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-14-10(2)12-9-8-11-6-4-5-7-13(11)15-12/h4-7,10,12H,3,8-9H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene?
2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene has a molecular weight of 206.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71175002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).